Geometry & MOs

Info

ID:

422853

PubChem CID:

135118516

Reduced:

FOSN5C23H26 (1)

Stoich.:

ABCD5E23F26 (1)

Weight, g/mol:

752.341274

ΔHf, kcal/mol:

1.89

Dipole, Da:

2.14

IP(EA), eV:

 -9.26(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13S,19R,23S)-13-benzyl-17-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-23-hydroxy-4-(2-methylpropyl)-20-oxa-2,5,11,14,17-pentazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CNC(=O)[C@]3(C[C@H]4CC[C@@H]3N4)CC5=CSC=N5

DOS

IR

Vibrations